naphthalene-2-carbaldehyde

C11H8O — CID 6201

IUPACnaphthalene-2-carbaldehyde
SMILESO=Cc1ccc2ccccc2c1
InChIInChI=1S/C11H8O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H
InChIKeyPJKVFARRVXDXAD-UHFFFAOYSA-N
MW156.18 g/mol
LogP2.65
Rot. Bonds1

About naphthalene-2-carbaldehyde

naphthalene-2-carbaldehyde (PubChem CID 6201) has the molecular formula C11H8O and a molecular weight of 156.18 g/mol. Its IUPAC name is naphthalene-2-carbaldehyde.

Molecular Properties

Compound Namenaphthalene-2-carbaldehyde
PubChem CID6201
Molecular FormulaC11H8O
Molecular Weight156.18 g/mol
Exact Mass156.06
IUPAC Namenaphthalene-2-carbaldehyde
SMILESO=Cc1ccc2ccccc2c1
InChIInChI=1S/C11H8O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H
InChIKeyPJKVFARRVXDXAD-UHFFFAOYSA-N
XLogP2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Anthraquinone
CID 6780
9,10-Phenanthrenedione
CID 6763
Anthrone
CID 7018
2-Methylbenzaldehyde
CID 10722
Benzanthrone
CID 6697
1-Naphthaldehyde
CID 6195
4-Ethylbenzaldehyde
CID 20861
Cuminaldehyde
CID 326
2-Acetylnaphthalene
CID 7122
2-Methylanthraquinone
CID 6773
2,4,6-Trimethylbenzaldehyde
CID 10254
2,4-Dimethylbenzaldehyde
CID 61814

Frequently Asked Questions

What is the IUPAC name of naphthalene-2-carbaldehyde?
The IUPAC name of naphthalene-2-carbaldehyde (CID 6201) is naphthalene-2-carbaldehyde.
What is the SMILES notation for naphthalene-2-carbaldehyde?
The canonical SMILES for naphthalene-2-carbaldehyde is O=Cc1ccc2ccccc2c1.
What is the InChIKey of naphthalene-2-carbaldehyde?
The InChIKey is PJKVFARRVXDXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H.
What are the key properties of naphthalene-2-carbaldehyde?
naphthalene-2-carbaldehyde has a molecular weight of 156.18 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-2-carbaldehyde is sourced from PubChem (CID 6201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).